Vitas-M small molecule compound
(4Z)-5-hydroxy-4-(4-hydroxy-3-nitrobenzylidene)-2-(4-iodophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK587674
SMILES Ic1ccc(cc1)N1N=C(/C(=C/c2ccc(c(c2)[N+](=O)[O-])O)/C1=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H10IN3O5 MW 451.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10IN3O5/c17-10-2-4-11(5-3-10)19-16(23)12(15(22)18-19)7-9-1-6-14(21)13(8-9)20(24)25/h1-8,21H,(H,18,22)/b12-7-InChIKey
BJKUTXRWWBOIDU-GHXNOFRVSA-NSynonyms
(4Z)4((4HYDROXY3NITROPHENYL)METHYLIDENE)1(4IODOPHENYL)PYRAZOLIDINE35DIONE
(4Z)5hydroxy4(4hydroxy3nitrobenzylidene)2(4iodophenyl)24dihydro3Hpyrazol3one
C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)N2)I
Ic1ccc(cc1)N1N=C(C(=Cc2ccc(c(c2)(N+)(=O)(O))O)C1=O)O
InChI=1SC16H10IN3O5c17102411(5310)1916(23)12(15(22)1819)791614(21)13(89)20(24)25h1821H(H1822)b127
MFCD07201676
ZINC000016974764
ZINC16974764
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